A generalized quantum chemical approach for elastic and inelastic electron transports in molecular electronics devices

Journal of Chemical Physics

Volumn 124, Issue 3, 2006, Pages

  Jiang, Jun ^a   Kula, Mathias ^a   Luo, Yi ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

GOLD ELECTRODES; MOLECULAR DEVICES; MOLECULAR ELECTRONICS DEVICES; VIBRATION MOTIONS;

CURRENT VOLTAGE CHARACTERISTICS; ELECTRODES; ELECTRON TUNNELING; SPECTROSCOPIC ANALYSIS;

QUANTUM THEORY;

EID: 31144451119     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2159490     Document Type: Article

References (46)

1. C. Joachim, J. K. Gimzewski, and A. Aviram, Nature (London) 408, 541 (2000).
2. A. Nitzan and M. A. Ratner, Science 300, 1384 (2003).
3. P. Hänggi, M. Ratner, and, S. Yaliyaki, " Processes in Molecular Wires., " Chem. Phys. 281, 111 (2002).
4. M. A. Reed, Nat. Mater. 3, 286 (2004).
5. M. Di Ventra, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. 84, 979 (2000).
6. M. Brandbyge, J.-L. Mozos, P. Ordejon, J. Taylor, and K. Stokbro, Phys. Rev. B 65, 165401 (2002).
7. J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001).
8. V. Mujica, M. Kemp, and M. A. Ratner, J. Chem. Phys. 101, 6849 (1994).
9. S. N. Yaliraki, M. Kemp, and M. A. Ratner, J. Am. Chem. Soc. 121, 3428 (1999).
10. M. P. Samanta, W. Tian, S. Datta, J. I. Henderson, and C. P. Kubiak, Phys. Rev. B 51, R7626 (1996).
11. P. S. Damle, A. W. Ghosh, and S. Datta, Phys. Rev. B 64, 201403 (2001).
12. C.-K. Wang, Y. Fu, and Y. Luo, Phys. Chem. Chem. Phys. 3, 5017 (2001).
13. Y. Luo, C.-K. Wang, and Y. Fu, J. Chem. Phys. 117, 10283 (2002).
14. Y. Luo, C.-K. Wang, and Y. Fu, Chem. Phys. Lett. 369, 299 (2003).
15. C.-K. Wang and Y. Luo, J. Chem. Phys. 119, 4923 (2003).
16. J. Jiang, W. Lu, and Y. Luo, Chem. Phys. Lett. 400, 336 (2004).
17. J. G. Kushmerick, J. Lazorcik, C. H. Patterson, R. Shashidhar, D. S. Seferos, and G. C. Bazan, Nano Lett. 4, 639 (2004).
18. W. Wang, T. Lee, I. Kretzschmar, and M. A. Reed, Nano Lett. 4, 643 (2004).
19. L. H. Yu, Z. K. Keane, J. W. Ciszek, L. Cheng, M. P. Stewart, J. M. Tour, and D. Natelson, Phys. Rev. Lett. 93, 266802 (2004).
20. A. Troisi, M. A. Ratner, and A. Nitzan, J. Chem. Phys. 118, 6072 (2003).
21. M. Galperin, M. A. Ratner, and A. Nitzan, Nano Lett. 4, 1605 (2004).
22. Y.-C. Chen, M. Zwolak, and M. Di Ventra, Nano Lett. 4, 1709 (2004).
23. A. Troisi and M. A. Ratner, Phys. Rev. B 72, 033408 (2005).
24. Y.-C. Chen, M. Zwolak, and M. Di Ventra, Nano Lett. 5, 621 (2005).
25. J. Jiang, M. Kula, W. Lu, and Y. Luo, Nano Lett. 5, 1551 (2005).
26. A. H. Flood, J. F. Stoddart, D. W. Steuerman, and J. R. Heath, Science 306, 2055 (2004).
27. A. Hansson, M. Paulsson, and S. Stafström, Phys. Rev. B 62, 7639 (2000).
28. N. Kobayashi, M. Brandbyge, and M. Tsukada, Phys. Rev. B 62, 8430 (2000).
29. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
30. D. J. Wold and C. D. Frisbie, J. Am. Chem. Soc. 123, 5549 (2001).
31. R. P. Feynman, Staticstical Mechanics (Addison-Wesley, Reading, 1972), 286-289.
32. F. Evers, F. Weigend, and M. Koentopp, Phys. Rev. B 69, 235411 (2004).
33. M. J. Frisch, G. W. Trucks, and H. B. Schlegel et al., GAUSSIAN 03, Revision A.1, Gaussian, Inc., Pittsburgh, PA, 2003.
34. J. Jaing and Y. Luo, QCME-V1.0 (quantum chemistry for molecular electronics), Theoretical Chemistry Department, Royal Institute of Technology, Sweden, 2005.
35. M. A. Reed, C. Zhou, C. J. Muller, T. P. Burgin, and J. M. Tour, Science 278, 252 (1997).
36. K. Stokbro, J. L. Mozos, P. Ordejon, M. Brandbyge, and J. Taylor, Comput. Mater. Sci. 27, 151 (2003).
37. E. G. Emberly and G. Kirczenow, Phys. Rev. B 64, 235412 (2001).
38. J. Nara, W. T. Geng, H. Kino, N. Kobayashi, and T. Ohno, J. Chem. Phys. 121, 6485 (2004).
39. X. Xiao, B. Xu, and N. J. Tao, Nano Lett. 4, 267 (2004).
40. R. Holmlin, R. Haag, M. L. Chabinyc, R. F. Ismagilov, A. E. Cohen, A. Terfort, M. A. Rampi, and G. M. Whitesides, J. Am. Chem. Soc. 123, 5075 (2001).
41. D. J. Wold, R. Haag, M. A. Rampi, and C. D. Frisbie, J. Phys. Chem. B 106, 2813 (2002).
42. X. D. Cui, X. Zarate, J. Tomfohr, O. F. Sankey, A. Primak, A. L. Moore, T. A. Moore, D. Gust, G. Harris, and S. M. Lindsay, Nanotechnology 13, 5 (2002).
43. W. Wang, T. Lee, and M. A. Reed, Phys. Rev. B 68, 035416 (2003).
44. X. D. Cui, A. Primak, X. Zarate, J. Tomfohr, O. F. Sankey, A. L. Moore, T. A. Moore, D. Gust, G. Harris, and S. M. Lindsay, Science 294, 571 (2001).
45. X. D. Cui, A. Primak, X. Zarate, J. Tomfohr, O. F. Sankey, A. L. Moore, T. A. Moore, D. Gust, L. A. Nagahara, and S. M. Lindsay, J. Phys. Chem. B 106, 8609 (2002).
46. W. Haiss, R. J. Nichols, H. van Zalinge, S. J. Higgins, D. Bethell, and D. J. Schiffrin, Phys. Chem. Chem. Phys. 6, 4330 (2004).